N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]-3-bromanyl-benzamide Openeye Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(3-hydroxypropylcarbamoyl)vinyl]-3-bromo-benzamide CAS Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-3-bromobenzamide IUPAC Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]-3-bromobenzamide Traditional Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(3-hydroxypropylcarbamoyl)vinyl]-3-bromo-benzamide Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCO)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCCO)\NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O5/c21-15-4-1-3-14(11-15)19(25)23-16(20(26)22-7-2-8-24)9-13-5-6-17-18(10-13)28-12-27-17/h1,3-6,9-11,24H,2,7-8,12H2,(H,22,26)(H,23,25)/b16-9-